methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C11H17N3O5 — CID 62953495

IUPACmethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1nnc(CN(CC(=O)OC)CC(=O)OC)o1
InChIInChI=1S/C11H17N3O5/c1-4-8-12-13-9(19-8)5-14(6-10(15)17-2)7-11(16)18-3/h4-7H2,1-3H3
InChIKeyZUEKMWMLYZWVIB-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.22
Rot. Bonds7

About methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62953495) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62953495
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1nnc(CN(CC(=O)OC)CC(=O)OC)o1
InChIInChI=1S/C11H17N3O5/c1-4-8-12-13-9(19-8)5-14(6-10(15)17-2)7-11(16)18-3/h4-7H2,1-3H3
InChIKeyZUEKMWMLYZWVIB-UHFFFAOYSA-N
XLogP-0.22
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62953495) is methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is CCc1nnc(CN(CC(=O)OC)CC(=O)OC)o1.
What is the InChIKey of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is ZUEKMWMLYZWVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-4-8-12-13-9(19-8)5-14(6-10(15)17-2)7-11(16)18-3/h4-7H2,1-3H3.
What are the key properties of methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 271.27 g/mol, XLogP of -0.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62953495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).